Geometry & MOs

Info

ID:	293453
PubChem CID:	117389847
Reduced:	ClO3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	254.070972
ΔH_f, kcal/mol:	-116.01
Dipole, Da:	4.35
IP(EA), eV:	-9.05(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-4-pentan-3-ylphenyl)-2-oxoacetic acid

Drug info:

PubChemData

Smile

CC(C)C1=C2C(=C(C=C1C(=O)C)Cl)OCCO2

DOS

IR

Vibrations